Molecular simulations: past, present, and future (a Topical Issue in EPJB)
Giovanni Ciccotti, Christoph Dellago, Mauro Ferrario, Eduardo Hernández, Mark E. Tuckerman
Topics & Concepts
Molecular dynamicsMonte Carlo methodStatistical physicsSampling (signal processing)PhysicsComputational chemistryChemistryMathematicsOpticsStatisticsDetectorMachine Learning in Materials ScienceAdvanced Thermodynamics and Statistical MechanicsProtein Structure and Dynamics